Receptor
PDB id Resolution Class Description Source Keywords
2WVS 2.19 Å EC: 3.2.1.51 CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 TRAPPED COVA INTERMEDIATE FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WF LUORO-FUCOSYL FLUORIDE USING AN E288Q MUTANT BACTEROIDES THETAIOTAOMICRON ALPHA-L-FUCOSE HYDROLASE GLYCOSIDE HYDROLASE FAMILY 29
Ref.: ANALYSIS OF THE REACTION COORDINATE OF ALPHA-L-FUCO A COMBINED STRUCTURAL AND QUANTUM MECHANICAL APPROA J.AM.CHEM.SOC. V. 132 1804 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUF A:1449;
A:1450;
B:1449;
C:1449;
D:1449;
 Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
 submit data
166.148 C6 H11 F O4 C[C@H...
SO4 A:1474;
A:1475;
B:1472;
C:1473;
C:1474;
D:1473;
D:1474;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XIB 2.2 Å EC: 3.2.1.51 CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH D EOXYFUCONOJIRIMYCIN BACTEROIDES THETAIOTAOMICRON FUCOSIDASE HYDROLASE METAL BINDING INHIBITORS
Ref.: STRUCTURAL AND THERMODYNAMIC ANALYSES OF ALPHA-L-FU INHIBITORS. CHEMBIOCHEM V. 11 1971 2010
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PEE - 2OX C13 H16 N4 O2 C[C@H]1[C@....
2 2XII Kd = 63.3 nM TA9 C21 H22 N2 O5 C[C@H]1[C@....
3 2WVS - FUF C6 H11 F O4 C[C@H]1[C@....
4 2WVU - JFZ C12 H15 N O7 C[C@H]1[C@....
5 4J28 Ki = 2 uM EAT C12 H15 N3 O2 C[C@H]1[C@....
6 6HZY Ki = 121 uM GYZ C13 H16 N2 O6 C[C@H]1[C@....
7 4JFT Ki = 3.5 uM 1KN C12 H17 N O3 C[C@H]1[C@....
8 4PCS - 2M7 C13 H15 N O2 C[C@H]1[C@....
9 4JFU - K80 C12 H17 N O2 Cc1ccc(cc1....
10 4JFV Ki = 0.52 uM H57 C18 H26 Fe N2 O2 CC1C(C(C(N....
11 2XIB Kd = 55.1 nM DFU C6 H13 N O3 C[C@H]1[C@....
12 4PCT - H76 C7 H11 N O2 C[C@H]1[C@....
13 4JFS Ki = 5.4 uM 16Z C13 H19 N O3 C[C@H]1[C@....
14 4JFW Ki = 0.46 uM H58 C20 H30 Fe N2 O2 CC1C(C(C(N....
15 2WVT Kd = 755 nM FHN C7 H16 N O5 C([C@H]1[C....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PEE - 2OX C13 H16 N4 O2 C[C@H]1[C@....
2 2XII Kd = 63.3 nM TA9 C21 H22 N2 O5 C[C@H]1[C@....
3 2WVS - FUF C6 H11 F O4 C[C@H]1[C@....
4 2WVU - JFZ C12 H15 N O7 C[C@H]1[C@....
5 4J28 Ki = 2 uM EAT C12 H15 N3 O2 C[C@H]1[C@....
6 6HZY Ki = 121 uM GYZ C13 H16 N2 O6 C[C@H]1[C@....
7 4JFT Ki = 3.5 uM 1KN C12 H17 N O3 C[C@H]1[C@....
8 4PCS - 2M7 C13 H15 N O2 C[C@H]1[C@....
9 4JFU - K80 C12 H17 N O2 Cc1ccc(cc1....
10 4JFV Ki = 0.52 uM H57 C18 H26 Fe N2 O2 CC1C(C(C(N....
11 2XIB Kd = 55.1 nM DFU C6 H13 N O3 C[C@H]1[C@....
12 4PCT - H76 C7 H11 N O2 C[C@H]1[C@....
13 4JFS Ki = 5.4 uM 16Z C13 H19 N O3 C[C@H]1[C@....
14 4JFW Ki = 0.46 uM H58 C20 H30 Fe N2 O2 CC1C(C(C(N....
15 2WVT Kd = 755 nM FHN C7 H16 N O5 C([C@H]1[C....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PEE - 2OX C13 H16 N4 O2 C[C@H]1[C@....
2 2XII Kd = 63.3 nM TA9 C21 H22 N2 O5 C[C@H]1[C@....
3 2WVS - FUF C6 H11 F O4 C[C@H]1[C@....
4 2WVU - JFZ C12 H15 N O7 C[C@H]1[C@....
5 4J28 Ki = 2 uM EAT C12 H15 N3 O2 C[C@H]1[C@....
6 6HZY Ki = 121 uM GYZ C13 H16 N2 O6 C[C@H]1[C@....
7 4JFT Ki = 3.5 uM 1KN C12 H17 N O3 C[C@H]1[C@....
8 4PCS - 2M7 C13 H15 N O2 C[C@H]1[C@....
9 4JFU - K80 C12 H17 N O2 Cc1ccc(cc1....
10 4JFV Ki = 0.52 uM H57 C18 H26 Fe N2 O2 CC1C(C(C(N....
11 2XIB Kd = 55.1 nM DFU C6 H13 N O3 C[C@H]1[C@....
12 4PCT - H76 C7 H11 N O2 C[C@H]1[C@....
13 4JFS Ki = 5.4 uM 16Z C13 H19 N O3 C[C@H]1[C@....
14 4JFW Ki = 0.46 uM H58 C20 H30 Fe N2 O2 CC1C(C(C(N....
15 2WVT Kd = 755 nM FHN C7 H16 N O5 C([C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FUF; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 FUF 1 1
2 G6D 0.424242 0.846154
3 FCB 0.424242 0.846154
4 FUC 0.424242 0.846154
5 RM4 0.424242 0.846154
6 FUL 0.424242 0.846154
7 RAM 0.424242 0.846154
8 FCA 0.424242 0.846154
9 XXR 0.424242 0.846154
Similar Ligands (3D)
Ligand no: 1; Ligand: FUF; Similar ligands found: 942
No: Ligand Similarity coefficient
1 MFB 0.9968
2 DFU 0.9898
3 RIP 0.9893
4 GIV 0.9736
5 BMA 0.9734
6 7MH 0.9698
7 INS 0.9641
8 T6C 0.9628
9 25W 0.9580
10 LXC 0.9565
11 MAN 0.9540
12 XYP 0.9533
13 URF 0.9526
14 XYS 0.9523
15 YTB 0.9522
16 3RK 0.9512
17 GLC 0.9503
18 JIF 0.9502
19 64K 0.9480
20 I1N 0.9479
21 BGC 0.9472
22 ARA 0.9464
23 PYG 0.9463
24 6UA 0.9444
25 TFU 0.9441
26 ARB 0.9436
27 G2F 0.9435
28 AHR 0.9426
29 B53 0.9423
30 G3F 0.9421
31 94B 0.9417
32 GXL 0.9414
33 ZWZ 0.9410
34 ABE 0.9408
35 6HQ 0.9408
36 40O 0.9406
37 TBP 0.9404
38 GUN 0.9401
39 WBU 0.9398
40 0MK 0.9388
41 ADE 0.9382
42 HPA 0.9382
43 BTE 0.9380
44 GIO 0.9375
45 XAN 0.9373
46 JFD 0.9369
47 8S0 0.9367
48 RNS 0.9367
49 PA1 0.9365
50 TAR 0.9360
51 GCS 0.9356
52 ICP 0.9356
53 MSN 0.9355
54 G4D 0.9351
55 GLF 0.9350
56 TDR 0.9349
57 MCT 0.9347
58 GAL 0.9346
59 XBZ 0.9346
60 0TR 0.9343
61 4PW 0.9343
62 A1U 0.9342
63 1MC 0.9342
64 2AC 0.9341
65 SHG 0.9341
66 F5B 0.9340
67 35C 0.9340
68 4HO 0.9339
69 4ZE 0.9339
70 XYD 0.9338
71 MWM 0.9336
72 GLA 0.9336
73 7HP 0.9330
74 MNM 0.9329
75 FYU 0.9327
76 JZ3 0.9326
77 CAQ 0.9326
78 275 0.9325
79 EXO 0.9324
80 Z6J 0.9323
81 IFM 0.9320
82 RIB 0.9320
83 PYD 0.9319
84 CGB 0.9319
85 LGC 0.9315
86 3DY 0.9314
87 SEJ 0.9313
88 JZ2 0.9311
89 LRH 0.9310
90 4CL 0.9308
91 4JJ 0.9307
92 KOJ 0.9306
93 ISE 0.9306
94 H76 0.9304
95 2MP 0.9301
96 MMA 0.9300
97 34A 0.9300
98 UEG 0.9297
99 IFL 0.9292
100 9DG 0.9290
101 6KX 0.9289
102 5UC 0.9287
103 5MH 0.9287
104 L3Q 0.9286
105 YHO 0.9286
106 GOO 0.9285
107 27Y 0.9280
108 OAA 0.9279
109 Q88 0.9275
110 BR9 0.9275
111 43M 0.9273
112 KBG 0.9273
113 WOO 0.9270
114 TM7 0.9268
115 TH0 0.9268
116 2YU 0.9267
117 SAL 0.9266
118 X6X 0.9266
119 1PT 0.9264
120 26D 0.9263
121 URA 0.9262
122 XUL 0.9259
123 DQN 0.9255
124 ASO 0.9252
125 B57 0.9251
126 OXZ 0.9249
127 HT4 0.9246
128 MWJ 0.9244
129 4JO 0.9241
130 DFB 0.9241
131 DMJ 0.9240
132 39A 0.9240
133 23A 0.9239
134 5JC 0.9234
135 NOY 0.9234
136 GRE 0.9232
137 NOJ 0.9230
138 2MH 0.9229
139 KJY 0.9229
140 HH5 0.9228
141 FHN 0.9226
142 3ZQ 0.9223
143 GAF 0.9221
144 FFP 0.9220
145 FLM 0.9220
146 3FA 0.9220
147 7VJ 0.9220
148 LCN 0.9220
149 9DA 0.9217
150 6F0 0.9217
151 ECE 0.9213
152 MZG 0.9210
153 MBD 0.9210
154 SWA 0.9207
155 BP1 0.9207
156 3MC 0.9200
157 2C9 0.9200
158 NK 0.9199
159 2FG 0.9197
160 ZZT 0.9196
161 948 0.9193
162 2XX 0.9190
163 SRT 0.9187
164 CRS 0.9186
165 ARW 0.9185
166 24B 0.9185
167 9HX 0.9184
168 VNJ 0.9183
169 IUR 0.9182
170 MLT 0.9181
171 IDH 0.9179
172 3F0 0.9179
173 GMN 0.9178
174 GYP 0.9177
175 PAV 0.9177
176 FUB 0.9176
177 BEW 0.9174
178 3M0 0.9173
179 2CM 0.9170
180 13X 0.9170
181 3MA 0.9170
182 8H8 0.9169
183 BE2 0.9168
184 KYD 0.9168
185 ADK 0.9166
186 10L 0.9166
187 IGA 0.9164
188 ITN 0.9163
189 149 0.9163
190 1GN 0.9163
191 DGJ 0.9162
192 3CE 0.9162
193 EDG 0.9161
194 RSF 0.9161
195 NSP 0.9161
196 3U4 0.9161
197 2MY 0.9160
198 ES6 0.9158
199 F81 0.9155
200 3HA 0.9154
201 Y8I 0.9153
202 HMH 0.9152
203 FDB 0.9150
204 3MH 0.9150
205 TLD 0.9148
206 MFU 0.9147
207 6MH 0.9147
208 P3K 0.9146
209 ES4 0.9146
210 GLT 0.9146
211 YIO 0.9146
212 AMG 0.9145
213 5ZE 0.9145
214 XLS 0.9145
215 290 0.9144
216 1XX 0.9144
217 6MP 0.9143
218 7WA 0.9143
219 PM6 0.9143
220 AX2 0.9143
221 3DM 0.9142
222 AZA 0.9140
223 DUB 0.9140
224 H3M 0.9140
225 DZX 0.9139
226 BR8 0.9138
227 RUU 0.9137
228 AZF 0.9136
229 I3A 0.9135
230 3Z7 0.9134
231 A2F 0.9133
232 6AP 0.9131
233 3MG 0.9131
234 3AY 0.9129
235 12M 0.9128
236 FDK 0.9128
237 5AN 0.9128
238 GIF 0.9127
239 5DI 0.9127
240 PXL 0.9127
241 0CU 0.9127
242 MBG 0.9127
243 9MG 0.9126
244 TM4 0.9125
245 AGK 0.9124
246 PFB 0.9124
247 1LQ 0.9123
248 X09 0.9122
249 AFR 0.9121
250 3XX 0.9119
251 WDL 0.9118
252 HMU 0.9115
253 329 0.9114
254 N7P 0.9113
255 ZB1 0.9113
256 BZX 0.9113
257 FPY 0.9112
258 ALL 0.9110
259 141 0.9110
260 34V 0.9110
261 95Z 0.9110
262 ICC 0.9110
263 FH2 0.9108
264 AZG 0.9104
265 DBH 0.9103
266 LDU 0.9102
267 32O 0.9102
268 AUD 0.9101
269 5WX 0.9099
270 SKG 0.9097
271 MA3 0.9097
272 ERH 0.9093
273 6LW 0.9091
274 ZXD 0.9091
275 2H5 0.9089
276 YH7 0.9089
277 RCO 0.9088
278 HGQ 0.9081
279 284 0.9081
280 BCF 0.9081
281 FPK 0.9081
282 SOE 0.9080
283 QOS 0.9080
284 HFB 0.9080
285 BDR 0.9080
286 286 0.9080
287 R8A 0.9078
288 4DX 0.9078
289 6GU 0.9077
290 6M4 0.9077
291 4JU 0.9077
292 SF9 0.9076
293 7CZ 0.9075
294 V55 0.9075
295 4CH 0.9074
296 CFP 0.9074
297 ROR 0.9074
298 1WD 0.9073
299 1WG 0.9070
300 0R0 0.9069
301 R8V 0.9068
302 DX4 0.9068
303 MRZ 0.9068
304 HY3 0.9067
305 285 0.9067
306 LG3 0.9067
307 CYT 0.9066
308 8LG 0.9065
309 92Z 0.9064
310 2ZV 0.9063
311 98J 0.9062
312 M1A 0.9059
313 JZ0 0.9058
314 EQT 0.9057
315 BVF 0.9056
316 FP2 0.9056
317 93Q 0.9056
318 82I 0.9055
319 3CH 0.9055
320 1AB 0.9053
321 DHK 0.9053
322 BDF 0.9052
323 LG5 0.9051
324 1XM 0.9050
325 IF7 0.9050
326 1AN 0.9050
327 THR 0.9048
328 67N 0.9046
329 HBA 0.9046
330 2AF 0.9045
331 L89 0.9045
332 LMR 0.9045
333 2ZX 0.9043
334 TLA 0.9042
335 150 0.9042
336 R2B 0.9042
337 260 0.9042
338 DUC 0.9041
339 FSW 0.9040
340 GYE 0.9040
341 4HC 0.9039
342 76X 0.9038
343 BOA 0.9036
344 BBF 0.9035
345 TH7 0.9035
346 PXM 0.9034
347 2MN 0.9034
348 RP7 0.9034
349 EHM 0.9033
350 F05 0.9033
351 8GF 0.9032
352 OXE 0.9032
353 CIG 0.9030
354 4XR 0.9030
355 HBX 0.9027
356 2CH 0.9022
357 HTS 0.9021
358 HHA 0.9020
359 4VP 0.9020
360 4H2 0.9019
361 ASP 0.9019
362 SFU 0.9018
363 94N 0.9018
364 2AS 0.9018
365 3DO 0.9017
366 CWM 0.9016
367 BDP 0.9016
368 2A7 0.9016
369 GCU 0.9016
370 HLZ 0.9016
371 KIV 0.9015
372 ES0 0.9015
373 2CQ 0.9013
374 GOX 0.9013
375 6M1 0.9011
376 5RG 0.9010
377 SYN 0.9010
378 FPI 0.9010
379 S76 0.9009
380 3WA 0.9008
381 7B4 0.9007
382 PAF 0.9006
383 4ZC 0.9005
384 IDM 0.9005
385 JKE 0.9004
386 GVH 0.9004
387 HPY 0.9003
388 7HQ 0.9002
389 GCB 0.9001
390 1DW 0.9000
391 CRN 0.9000
392 IBF 0.9000
393 GAG 0.8999
394 ASC 0.8999
395 BCP 0.8998
396 938 0.8997
397 B3R 0.8996
398 HX3 0.8996
399 0P6 0.8994
400 ABN 0.8994
401 M3T 0.8994
402 6AI 0.8994
403 0R1 0.8993
404 BZF 0.8992
405 PTO 0.8992
406 IJZ 0.8992
407 O72 0.8991
408 5Q0 0.8990
409 ZZ3 0.8990
410 F3B 0.8989
411 BML 0.8989
412 DEN 0.8988
413 BZI 0.8988
414 SWD 0.8987
415 HJP 0.8986
416 8EZ 0.8981
417 HQY 0.8981
418 7EX 0.8981
419 1XN 0.8980
420 1NP 0.8980
421 RB5 0.8980
422 XYL 0.8980
423 ADZ 0.8979
424 BEZ 0.8979
425 HZQ 0.8978
426 SJ5 0.8976
427 0CT 0.8975
428 NDM 0.8975
429 PE0 0.8974
430 LZ1 0.8973
431 MVL 0.8973
432 GDE 0.8973
433 HEW 0.8972
434 261 0.8971
435 FA0 0.8971
436 5SG 0.8970
437 DRL 0.8970
438 RPQ 0.8970
439 IND 0.8970
440 JZ1 0.8968
441 NCA 0.8968
442 FBV 0.8966
443 SVJ 0.8966
444 54G 0.8966
445 TEP 0.8966
446 ES1 0.8965
447 N8P 0.8965
448 GTZ 0.8965
449 JBK 0.8964
450 5IQ 0.8963
451 9EW 0.8963
452 4YS 0.8962
453 PRO 0.8962
454 NEQ 0.8960
455 JPZ 0.8957
456 N5J 0.8957
457 MT0 0.8954
458 9TY 0.8952
459 MPI 0.8951
460 5CL 0.8950
461 Q24 0.8950
462 B0D 0.8949
463 LFR 0.8949
464 45C 0.8947
465 5QX 0.8946
466 1SQ 0.8946
467 JZ9 0.8946
468 HLR 0.8945
469 TMT 0.8944
470 495 0.8944
471 7VS 0.8944
472 3IT 0.8943
473 CYH 0.8943
474 5CU 0.8940
475 IPH 0.8940
476 EVA 0.8938
477 1LM 0.8937
478 MAK 0.8937
479 282 0.8936
480 4AA 0.8935
481 1MR 0.8935
482 UAN 0.8934
483 DAS 0.8933
484 12B 0.8933
485 C2U 0.8933
486 AKB 0.8932
487 IP0 0.8930
488 F4Z 0.8930
489 JBH 0.8929
490 H62 0.8928
491 M1E 0.8927
492 CXL 0.8925
493 5NU 0.8925
494 TMZ 0.8925
495 7D2 0.8923
496 270 0.8922
497 FE DB1 0.8922
498 680 0.8922
499 HXX 0.8922
500 CAM 0.8921
501 FOT 0.8921
502 PCI 0.8921
503 VAL 0.8920
504 2DR 0.8919
505 QIC 0.8919
506 HSE 0.8918
507 XQ0 0.8918
508 0RW 0.8918
509 VK3 0.8917
510 CN0 0.8916
511 SVN 0.8916
512 JBE 0.8915
513 4SV 0.8915
514 AMC 0.8915
515 GTQ 0.8914
516 5MB 0.8913
517 HYP 0.8912
518 AZ8 0.8912
519 TCZ 0.8912
520 DIG 0.8912
521 6X8 0.8912
522 TC7 0.8911
523 R1X 0.8911
524 KIA 0.8910
525 G5V 0.8910
526 NBZ 0.8909
527 TFB 0.8909
528 CTS 0.8909
529 A2Q 0.8908
530 DOB 0.8902
531 TTL 0.8902
532 YAN 0.8902
533 14O 0.8902
534 F60 0.8900
535 24W 0.8900
536 TMH 0.8900
537 HQE 0.8899
538 PBE 0.8899
539 BEN 0.8898
540 PLQ 0.8897
541 5M0 0.8896
542 3SK 0.8896
543 YCP 0.8895
544 2D0 0.8895
545 AX7 0.8893
546 HHQ 0.8893
547 5H1 0.8893
548 O7U 0.8892
549 FPN 0.8891
550 ALO 0.8891
551 BHO 0.8890
552 UNC 0.8890
553 FX1 0.8890
554 LG4 0.8890
555 ES9 0.8890
556 MEW 0.8888
557 5MI 0.8887
558 DA1 0.8887
559 RM1 0.8887
560 FBT 0.8886
561 OXC 0.8886
562 MB3 0.8886
563 MZB 0.8886
564 AQO 0.8885
565 URC 0.8885
566 HH8 0.8884
567 NTM 0.8884
568 LSA 0.8884
569 42C 0.8882
570 2A9 0.8882
571 FP1 0.8881
572 2IM 0.8881
573 PCR 0.8880
574 4XX 0.8880
575 KPL 0.8880
576 FRU 0.8879
577 GBD 0.8879
578 PXY 0.8879
579 Q6T 0.8877
580 NXA 0.8876
581 DBJ 0.8876
582 M5K 0.8876
583 RBL 0.8875
584 ORO 0.8874
585 SNE 0.8872
586 IPZ 0.8872
587 PRZ 0.8872
588 JUG 0.8870
589 TNE 0.8870
590 11S 0.8868
591 ABV 0.8867
592 2MI 0.8867
593 J9W 0.8867
594 IMR 0.8866
595 4XH 0.8866
596 7NI 0.8864
597 GAB 0.8863
598 IQ0 0.8863
599 25R 0.8862
600 KIB 0.8860
601 2CK 0.8860
602 8TX 0.8860
603 G1O 0.8858
604 URP 0.8858
605 CIZ 0.8856
606 J1Z 0.8855
607 ASN 0.8854
608 OXQ 0.8854
609 MO8 0.8854
610 4CS 0.8853
611 FK1 0.8852
612 8WT 0.8852
613 BAM 0.8850
614 PCA 0.8850
615 VOH 0.8848
616 60P 0.8847
617 SF6 0.8846
618 EUG 0.8845
619 4M4 0.8845
620 QSH 0.8845
621 3Z8 0.8844
622 V1L 0.8844
623 NPY 0.8844
624 F0J 0.8843
625 4JP 0.8842
626 ENL 0.8842
627 YSO 0.8842
628 1P3 0.8839
629 DIE 0.8839
630 2K4 0.8838
631 M0W 0.8838
632 VNL 0.8838
633 93B 0.8837
634 4M0 0.8837
635 RHU 0.8837
636 3V4 0.8837
637 JBQ 0.8837
638 H6B 0.8836
639 PZA 0.8834
640 KKN 0.8833
641 H4N 0.8832
642 C2A 0.8832
643 4HM 0.8831
644 XQG 0.8830
645 3HB 0.8830
646 51F 0.8829
647 AKH 0.8829
648 3ID 0.8828
649 M0Q 0.8827
650 DOR 0.8827
651 6PC 0.8827
652 GOG 0.8827
653 6M9 0.8826
654 LKA 0.8826
655 QUZ 0.8826
656 NBE 0.8826
657 DIU 0.8826
658 GLU 0.8824
659 KLW 0.8824
660 QSC 0.8822
661 FLA 0.8821
662 3FH 0.8820
663 ILE 0.8819
664 PHT 0.8818
665 4HS 0.8816
666 7W4 0.8814
667 ISN 0.8813
668 GTL 0.8813
669 5AC 0.8812
670 4JN 0.8811
671 AKG 0.8810
672 2KT 0.8808
673 KSW 0.8808
674 6CS 0.8808
675 9TZ 0.8807
676 2HO 0.8806
677 L60 0.8806
678 HAI 0.8806
679 URQ 0.8806
680 AJ2 0.8806
681 2GS 0.8806
682 NIO 0.8805
683 KJH 0.8804
684 4NC 0.8804
685 XM0 0.8803
686 INO 0.8802
687 BSX 0.8802
688 P92 0.8799
689 GLG 0.8799
690 PYJ 0.8799
691 A7W 0.8797
692 LZM 0.8796
693 PEP 0.8795
694 ADA 0.8795
695 DHB 0.8794
696 1LN 0.8793
697 PYF 0.8793
698 NTZ 0.8793
699 PYQ 0.8793
700 9PY 0.8790
701 93K 0.8790
702 7W1 0.8789
703 B24 0.8789
704 CNL 0.8788
705 4XV 0.8786
706 GTR 0.8786
707 SHA 0.8785
708 2TQ 0.8785
709 T2C 0.8784
710 PSV 0.8783
711 MRY 0.8783
712 MT5 0.8783
713 12Q 0.8780
714 DMD 0.8780
715 42A 0.8779
716 APY 0.8779
717 MYJ 0.8778
718 ES7 0.8776
719 UNU 0.8775
720 MLI 0.8775
721 FAC 0.8773
722 34D 0.8773
723 5MK 0.8773
724 FA1 0.8773
725 HTP 0.8773
726 LYL 0.8773
727 7WV 0.8772
728 5WV 0.8771
729 D1X 0.8770
730 2EC 0.8770
731 OEM 0.8769
732 GLY PRO 0.8768
733 CEJ 0.8766
734 1P7 0.8764
735 RXR 0.8764
736 GIM 0.8763
737 2ZQ 0.8760
738 MLA 0.8759
739 M1H 0.8758
740 OVV 0.8757
741 M2H 0.8756
742 FA3 0.8755
743 FBA 0.8754
744 SX1 0.8754
745 LER 0.8753
746 FSG 0.8752
747 II6 0.8752
748 P9P 0.8752
749 8IG 0.8750
750 8EW 0.8750
751 BTY 0.8749
752 PY7 0.8749
753 8NY 0.8749
754 BHA 0.8748
755 NQ 0.8747
756 3NT 0.8747
757 717 0.8747
758 B55 0.8746
759 23B 0.8746
760 2PC 0.8745
761 3OC 0.8745
762 5OB 0.8745
763 NPO 0.8744
764 PHB 0.8743
765 GCV 0.8742
766 CP 0.8741
767 MBN 0.8740
768 4XS 0.8740
769 1U6 0.8740
770 4JL 0.8739
771 7ZE 0.8737
772 APZ 0.8733
773 D3M 0.8732
774 K17 0.8730
775 IV2 0.8730
776 SR1 0.8729
777 RXA 0.8729
778 DQA 0.8728
779 JTH 0.8728
780 9CL 0.8727
781 37T 0.8725
782 IOL 0.8725
783 03V 0.8724
784 GG6 0.8724
785 R8S 0.8723
786 2LP 0.8721
787 DGY 0.8720
788 53C 0.8719
789 NCM 0.8718
790 HIO 0.8718
791 23W 0.8718
792 MRW 0.8716
793 WOT 0.8714
794 SMV 0.8714
795 AEZ 0.8713
796 HQT 0.8710
797 EMZ 0.8710
798 M6N 0.8710
799 HVK 0.8708
800 2AP 0.8708
801 3AP 0.8707
802 4AP 0.8706
803 AW5 0.8705
804 HRZ 0.8705
805 2AQ 0.8705
806 5B1 0.8704
807 280 0.8704
808 GXE 0.8703
809 0FN 0.8703
810 PZI 0.8702
811 PYC 0.8700
812 PRS 0.8700
813 9PO 0.8700
814 ES5 0.8699
815 JBN 0.8698
816 MMZ 0.8693
817 PBC 0.8692
818 LGA 0.8691
819 5HN 0.8691
820 4FS 0.8690
821 IT2 0.8690
822 32X 0.8690
823 DHQ 0.8689
824 ADO 0.8688
825 HQD 0.8686
826 AH8 0.8685
827 75K 0.8684
828 LEU 0.8682
829 NMJ 0.8682
830 VGD 0.8680
831 06B 0.8679
832 0W8 0.8678
833 5JL 0.8676
834 8CL 0.8675
835 UGC 0.8675
836 DTI 0.8674
837 PRF 0.8674
838 RSO 0.8674
839 HNQ 0.8673
840 HSL 0.8672
841 A65 0.8672
842 192 0.8671
843 IPB 0.8671
844 6JN 0.8671
845 1P8 0.8670
846 SKM 0.8670
847 KG7 0.8669
848 SIN 0.8667
849 5WY 0.8667
850 DTL 0.8665
851 36R 0.8665
852 COU 0.8663
853 9TW 0.8662
854 PAE 0.8662
855 INE 0.8661
856 PBR 0.8660
857 TZE 0.8658
858 PQ0 0.8657
859 OCH 0.8650
860 DIN 0.8649
861 3AB 0.8648
862 CHB 0.8648
863 4JM 0.8644
864 EA1 0.8642
865 X05 0.8642
866 K3Q 0.8641
867 5VM 0.8638
868 FOA 0.8638
869 AZ9 0.8638
870 I2M 0.8637
871 TZC 0.8636
872 BZ3 0.8636
873 M58 0.8633
874 ET2 0.8632
875 CWS 0.8632
876 QWN 0.8632
877 SKA 0.8631
878 MR1 0.8630
879 NNO 0.8629
880 24T 0.8626
881 SS2 0.8625
882 4A3 0.8623
883 NTN 0.8623
884 7N0 0.8622
885 3HM 0.8620
886 H8N 0.8620
887 QPR 0.8620
888 3CU 0.8619
889 GLL 0.8619
890 TTO 0.8618
891 HZP 0.8618
892 XX2 0.8616
893 JZ4 0.8615
894 ZVO 0.8612
895 8CM 0.8611
896 B62 0.8611
897 DEE 0.8611
898 5JQ 0.8608
899 CXF 0.8602
900 C2B 0.8601
901 D07 0.8600
902 9X7 0.8599
903 MET 0.8594
904 1DH 0.8593
905 FHB 0.8592
906 M1Q 0.8592
907 TP5 0.8590
908 IPM 0.8589
909 FGZ 0.8588
910 PRY 0.8587
911 4AX 0.8584
912 ES2 0.8583
913 TBS 0.8580
914 SXS 0.8579
915 PIH 0.8577
916 JLZ 0.8571
917 HIU 0.8571
918 DMG 0.8570
919 OA3 0.8569
920 CLW 0.8568
921 7WR 0.8568
922 TVP 0.8563
923 8GC 0.8560
924 GXY 0.8559
925 E7Z 0.8558
926 EJZ 0.8557
927 AIN 0.8556
928 3R9 0.8555
929 3SY 0.8552
930 DBX 0.8551
931 HYN 0.8550
932 4NG 0.8550
933 SVD 0.8550
934 SYA 0.8549
935 3PY 0.8549
936 QAT 0.8547
937 FBB 0.8540
938 SER 0.8537
939 BFM 0.8533
940 KUF 0.8530
941 6VD 0.8529
942 JZ5 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XIB; Ligand: DFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2xib.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XIB; Ligand: DFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xib.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XIB; Ligand: DFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2xib.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2XIB; Ligand: DFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2xib.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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